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10.3390/cryst10121145
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Open AccessArticle

Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers

by
Alexander Gorel
1,*,†,
Marie Luise Grünbein
1,*,†,
Richard Bean
2,‡,
Johan Bielecki
2,‡,
Mario Hilpert
1,*,
Michele Cascella
2,
Jacques-Philippe Colletier
3,
Hans Fangohr
2,4,5,
Lutz Foucar
1,
Elisabeth Hartmann
1,
Mark S. Hunter
6,
Henry Kirkwood
2,
Marco Kloos
1,
Romain Letrun
2,
Thomas Michelat
2,
Robert L. Shoeman
1,
Jolanta Sztuk-Dambietz
2,
Guillaume Tetreau
3,
Herbert Zimmermann
1,
Adrian P. Mancuso
2,7,
Thomas R.M. Barends
1,*,
R. Bruce Doak
1,
Claudiu Andrei Stan
8 and
Ilme Schlichting
1
1
Max Planck Institute for Medical Research, Jahnstrasse 29, 69120 Heidelberg, Germany
2
European XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany
3
Institut de Biologie Structurale, Université Grenoble Alpes, CEA, CNRS, 38044 Grenoble, France
4
Max Planck Institute for Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany
5
University of Southampton, Southampton SO17 1BJ, UK
6
SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA
7
Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria 3086, Australia
8
Department of Physics, Rutgers University Newark, 101 Warren Street, Newark, NJ 07102, USA
*
Authors to whom correspondence should be addressed.
†
Contributed equally.
‡
Contributed equally.
Crystals 2020, 10(12), 1145; https://doi.org/10.3390/cryst10121145
Received: 1 December 2020 / Revised: 11 December 2020 / Accepted: 13 December 2020 / Published: 16 December 2020
(This article belongs to the Special Issue Approach of Serial Crystallography)
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Abstract

Serial femtosecond crystallography (SFX) data were recorded at the European X-ray free-electron laser facility (EuXFEL) with protein microcrystals delivered via a microscopic liquid jet. An XFEL beam striking such a jet may launch supersonic shock waves up the jet, compromising the oncoming sample. To investigate this efficiently, we employed a novel XFEL pulse pattern to nominally expose the sample to between zero and four shock waves before being probed. Analyzing hit rate, indexing rate, and resolution for diffraction data recorded at MHz pulse rates, we found no evidence of damage. Notably, however, this conclusion could only be drawn after careful identification and assimilation of numerous interrelated experimental factors, which we describe in detail. Failure to do so would have led to an erroneous conclusion. Femtosecond photography of the sample-carrying jet revealed critically different jet behavior from that of all homogeneous liquid jets studied to date in this manner. View Full-Text
Keywords: X-ray free-electron laser; serial femtosecond crystallography; shock wave; protein crystallography X-ray free-electron laser; serial femtosecond crystallography; shock wave; protein crystallography
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited
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MDPI and ACS Style

Gorel, A.; Grünbein, M.L.; Bean, R.; Bielecki, J.; Hilpert, M.; Cascella, M.; Colletier, J.-P.; Fangohr, H.; Foucar, L.; Hartmann, E.; Hunter, M.S.; Kirkwood, H.; Kloos, M.; Letrun, R.; Michelat, T.; Shoeman, R.L.; Sztuk-Dambietz, J.; Tetreau, G.; Zimmermann, H.; Mancuso, A.P.; Barends, T.R.M.; Doak, R.B.; Stan, C.A.; Schlichting, I. Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers. Crystals 2020, 10, 1145. https://doi.org/10.3390/cryst10121145

AMA Style

Gorel A, Grünbein ML, Bean R, Bielecki J, Hilpert M, Cascella M, Colletier J-P, Fangohr H, Foucar L, Hartmann E, Hunter MS, Kirkwood H, Kloos M, Letrun R, Michelat T, Shoeman RL, Sztuk-Dambietz J, Tetreau G, Zimmermann H, Mancuso AP, Barends TRM, Doak RB, Stan CA, Schlichting I. Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers. Crystals. 2020; 10(12):1145. https://doi.org/10.3390/cryst10121145

Chicago/Turabian Style

Gorel, Alexander; Grünbein, Marie L.; Bean, Richard; Bielecki, Johan; Hilpert, Mario; Cascella, Michele; Colletier, Jacques-Philippe; Fangohr, Hans; Foucar, Lutz; Hartmann, Elisabeth; Hunter, Mark S.; Kirkwood, Henry; Kloos, Marco; Letrun, Romain; Michelat, Thomas; Shoeman, Robert L.; Sztuk-Dambietz, Jolanta; Tetreau, Guillaume; Zimmermann, Herbert; Mancuso, Adrian P.; Barends, Thomas R.M.; Doak, R. B.; Stan, Claudiu A.; Schlichting, Ilme. 2020. "Shock Damage Analysis in Serial Femtosecond Crystallography Data Collected at MHz X-ray Free-Electron Lasers" Crystals 10, no. 12: 1145. https://doi.org/10.3390/cryst10121145

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